4-[[(1S)-3-(4-nitrophenyl)-3-oxidanylidene-1-phenyl-propyl]amino]benzoate

Systemtic Name: 4-[[(1S)-3-(4-nitrophenyl)-3-oxidanylidene-1-phenyl-propyl]amino]benzoate Openeye Name: 4-[[(1S)-3-(4-nitrophenyl)-3-oxo-1-phenyl-propyl]amino]benzoate CAS Name: 4-[[(1S)-3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]amino]benzoate IUPAC Name: 4-[[(1S)-3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]amino]benzoate Traditional Name: 4-[[(1S)-3-keto-3-(4-nitrophenyl)-1-phenyl-propyl]amino]benzoate Formula: C22H17N2O5- MolecularWeight: 389.38078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C22H18N2O5/c25-21(16-8-12-19(13-9-16)24(28)29)14-20(15-4-2-1-3-5-15)23-18-10-6-17(7-11-18)22(26)27/h1-13,20,23H,14H2,(H,26,27)/p-1/t20-/m0/s1